expdamp (reference) in projects: dports

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Searched refs:expdamp (Results 1 – 12 of 12) sorted by relevance

/dports/science/tinker/tinker/source/
H A D	damping.f	`86 real8 expdamp local 106 expdamp = exp(-damp) 107 dmpik(3) = 1.0d0 - expdamp 125 expdamp = exp(-damp) 126 dmpik(3) = 1.0d0 - expdamp 127 dmpik(5) = 1.0d0 - expdamp(1.0d0+damp) 169 real8 expdamp local 188 expdamp = exp(-damp) 189 dmpik(3) = 1.0d0 - expdamp 190 dmpik(5) = 1.0d0 - expdamp(1.0d0+damp) [all …]`
H A D	epolar2.f	`213 real*8 damp,expdamp local 580 expdamp = exp(-damp) 581 sc3 = 1.0d0 - expdamp 612 expdamp = exp(-damp) 613 sc3 = 1.0d0 - expdamp 1017 expdamp = exp(-damp) 1018 sc3 = 1.0d0 - expdamp 1641 expdamp = exp(-damp) 1673 expdamp = exp(-damp) 2078 expdamp = exp(-damp) [all …]`
H A D	epolar1.f	`93 real8 damp,expdamp local 491 expdamp = exp(-damp) 896 expdamp = exp(-damp) 897 sc3 = 1.0d0 - expdamp 1973 expdamp = exp(-damp) 1974 sc3 = 1.0d0 - expdamp 2541 real8 damp,expdamp local 3360 expdamp = exp(-damp) 4158 real*8 damp,expdamp local 5023 expdamp = exp(-damp) [all …]`
H A D	poledit.f	`3033 real8 damp,expdamp 3175 expdamp = exp(-damp) 3176 scale3 = 1.0d0 - expdamp 3177 scale5 = 1.0d0 - expdamp(1.0d0+damp) 3178 scale7 = 1.0d0 - expdamp(1.0d0+damp 3314 real8 damp,expdamp 3521 expdamp = exp(-damp) 3522 scale3 = 1.0d0 - expdamp 3523 scale5 = 1.0d0 - expdamp*(1.0d0+damp)`
/dports/science/tinker/tinker/other/
H A D	induce.no-tarray	`505 real8 damp,expdamp 832 real8 damp,expdamp 1098 real8 damp,expdamp 1295 real8 damp,expdamp 1804 real8 damp,expdamp 2268 real8 damp,expdamp 2732 real8 damp,expdamp 3055 real8 damp,expdamp 3667 real8 damp,expdamp 4107 real8 damp,expdamp [all …]`
H A D	empole.both	`87 real8 damp,expdamp 293 expdamp = exp(damp) 294 scale3 = 1.0d0 - expdamp 495 expdamp = exp(damp) 606 real8 damp,expdamp 831 expdamp = exp(damp) 1072 real8 damp,expdamp 1264 expdamp = exp(damp) 1461 expdamp = exp(damp) 1695 real8 damp,expdamp [all …]`
H A D	empole.taper	`81 real8 damp,expdamp 274 expdamp = exp(damp) 275 scale3 = 1.0d0 - expdamp 475 expdamp = exp(damp) 578 real8 damp,expdamp 772 expdamp = exp(damp) 999 real8 damp,expdamp 1179 expdamp = exp(damp) 1358 expdamp = exp(damp) 1569 real8 damp,expdamp [all …]`
H A D	empole3.both	`113 real8 damp,expdamp 329 expdamp = exp(damp) 330 scale3 = 1.0d0 - expdamp 565 expdamp = exp(damp) 714 real8 damp,expdamp 960 expdamp = exp(damp) 1272 real8 damp,expdamp 1471 expdamp = exp(damp) 1707 expdamp = exp(damp) 2000 real8 damp,expdamp [all …]`
H A D	empole3.taper	`91 real8 damp,expdamp 294 expdamp = exp(damp) 295 scale3 = 1.0d0 - expdamp 529 expdamp = exp(damp) 669 real8 damp,expdamp 873 expdamp = exp(damp) 1161 real8 damp,expdamp 1347 expdamp = exp(damp) 1559 expdamp = exp(damp) 1822 real8 damp,expdamp [all …]`
H A D	empole2.both	`226 real8 damp,expdamp 441 expdamp = exp(damp) 442 scale3 = 1.0d0 - expdamp 443 scale5 = 1.0d0 - (1.0d0-damp)expdamp 445 & expdamp 446 temp3 = -3.0d0 damp * expdamp / r2`
H A D	empole1.taper	`84 real8 damp,expdamp 288 expdamp = exp(damp) 289 scale3 = 1.0d0 - expdamp 878 real8 damp,expdamp 1079 expdamp = exp(damp) 1080 scale3 = 1.0d0 - expdamp 1843 real8 damp,expdamp 2038 expdamp = exp(damp) 2789 expdamp = exp(damp) 3703 real8 damp,expdamp [all …]`
H A D	empole1.both	`112 real8 damp,expdamp 332 expdamp = exp(damp) 333 scale3 = 1.0d0 - expdamp 1312 expdamp = exp(damp) 1971 real8 damp,expdamp 2241 expdamp = exp(damp) 3098 real8 damp,expdamp 3310 expdamp = exp(damp) 4117 expdamp = exp(damp) 5110 real8 damp,expdamp [all …]`